Information card for entry 2241514

Structure parameters

• Chemical name: 3-Bromo-9-ethyl-9<i>H</i>-carbazole
• Formula: C14 H12 Br N
• Calculated formula: C14 H12 Br N
• SMILES: Brc1ccc2n(c3c(c2c1)cccc3)CC
• Title of publication: Crystal structure of 3-bromo-9-ethyl-9<i>H</i>-carbazole
• Authors of publication: Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1067 - o1068
• a: 15.263 ± 0.016 Å
• b: 7.745 ± 0.008 Å
• c: 20.41 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2413 ± 4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes